2-bis(methylperoxy)phosphorylpropane

C5H13O5P — CID 155439548

IUPAC2-bis(methylperoxy)phosphorylpropane
SMILESCOOP(=O)(OOC)C(C)C
InChIInChI=1S/C5H13O5P/c1-5(2)11(6,9-7-3)10-8-4/h5H,1-4H3
InChIKeyWJJWLWIMYCYAJN-UHFFFAOYSA-N
MW184.13 g/mol
LogP1.74
Rot. Bonds5

About 2-bis(methylperoxy)phosphorylpropane

2-bis(methylperoxy)phosphorylpropane (PubChem CID 155439548) has the molecular formula C5H13O5P and a molecular weight of 184.13 g/mol. Its IUPAC name is 2-bis(methylperoxy)phosphorylpropane.

Molecular Properties

Compound Name2-bis(methylperoxy)phosphorylpropane
PubChem CID155439548
Molecular FormulaC5H13O5P
Molecular Weight184.13 g/mol
Exact Mass184.05
IUPAC Name2-bis(methylperoxy)phosphorylpropane
SMILESCOOP(=O)(OOC)C(C)C
InChIInChI=1S/C5H13O5P/c1-5(2)11(6,9-7-3)10-8-4/h5H,1-4H3
InChIKeyWJJWLWIMYCYAJN-UHFFFAOYSA-N
XLogP1.74
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bis(methylperoxy)phosphorylpropane?
The IUPAC name of 2-bis(methylperoxy)phosphorylpropane (CID 155439548) is 2-bis(methylperoxy)phosphorylpropane.
What is the SMILES notation for 2-bis(methylperoxy)phosphorylpropane?
The canonical SMILES for 2-bis(methylperoxy)phosphorylpropane is COOP(=O)(OOC)C(C)C.
What is the InChIKey of 2-bis(methylperoxy)phosphorylpropane?
The InChIKey is WJJWLWIMYCYAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O5P/c1-5(2)11(6,9-7-3)10-8-4/h5H,1-4H3.
What are the key properties of 2-bis(methylperoxy)phosphorylpropane?
2-bis(methylperoxy)phosphorylpropane has a molecular weight of 184.13 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(methylperoxy)phosphorylpropane is sourced from PubChem (CID 155439548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).